Cyclohexylzinc bromide solution - 0.5M in THF , CAS No.7565-57-3

CAS: 7565-57-3 Cat. No.: C465981 Molecular Weight: 228.44 EC Number: 628-377-2

GRADE & PURITY 0.5M in THF

Synonyms

cyclohexylzinc bromide | bromozinc(1+);cyclohexane | AKOS015916156 | Cyclohexylzinc bromide, 0.50 M in THF | MFCD00671993 | cyclohexylzinc(II) bromide | Cyclohexylzinc bromide 0.5 M in Tetrahydrofuran | Cyclohexylzinc bromide, 0.5M in THF, packaged under

Storage

Store at 2-8°C

Shipped In

Wet ice

Overview

Description

Cyclohexylzinc bromide is an organozinc reagent, generally used in Negishi coupling. Examples include the cross-coupling of alkylzinc halides with aryl/heteroaryl halides using Pd-PEPPSI-IPent and nickel-catalyzed synthesis of 4-substituted coumarins.It can react with the SO2surrogate, 1,4-diazabicyclo[2.2.2]octane bis(sulfur dioxide) adduct (DABSO) to afford zinc sulfinate salts which can be alkylated to synthesize various useful sulfones.

Specifications

Synonyms

cyclohexylzinc bromide | bromozinc(1+);cyclohexane | AKOS015916156 | Cyclohexylzinc bromide, 0.50 M in THF | MFCD00671993 | cyclohexylzinc(II) bromide | Cyclohexylzinc bromide 0.5 M in Tetrahydrofuran | Cyclohexylzinc bromide, 0.5M in THF, packaged under

Specifications & Purity

0.5M in THF

Legal Information

Rieke® Metals, Inc. 制造。®Rieke Metals, Inc. 的注册商标。

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Names and Identifiers

• Canonical Smiles: C1CC[CH-]CC1.[Zn+]Br
• IUPAC Name: bromozinc(1+);cyclohexane
• InChIKey: PVURAUIMVICLOH-UHFFFAOYSA-M
• INCHI: 1S/C6H11.BrH.Zn/c1-2-4-6-5-3-1;;/h1H,2-6H2;1H;/q-1;;+2/p-1
• Isomeric SMILES: C1CC[CH-]CC1.[Zn+]Br
• Molecular Weight: 228.44
• Reaxy-Rn: 4738485
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4738485&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic salts
    • Class Organic metal salts
      • Subclass Organic metal halides

• Kingdom: Organic compounds
• Superclass: Organic salts
• Class: Organic metal salts
• Subclass: Organic metal halides
• Intermediate Tree Nodes: Not available
• Direct Parent: Organic metal halides
• Alternative Parents: Organic transition metal salts Organic metal bromide salts Organic bromide salts Hydrocarbon derivatives Organic cations
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Organic metal halide - Organic metal bromide salt - Organic transition metal salt - Hydrocarbon derivative - Organic bromide salt - Organic cation - Aliphatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as organic metal halides. These are organic compounds containing metals and halogens. Some are ionic while others are covalently bonded.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Boil Point(°C): 66° C
• Molecular Weight: 228.400 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 225.934 Da
• Monoisotopic Mass: 225.934 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 35.500
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

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